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Figure 5
Data set 4. The left-hand column shows moving averages of the residuals sorted in ascending order of resolution, and the right-hand column shows the corresponding BayCoN plots [(\zeta, \sin\theta/\lambda)]. The moving averages are calculated for windows of 50 (blue), 100 (orange) and 500 (green) consecutive reflections for (a) the uncorrected data set, (c) the corrected data set and (e) the filtered data set. They all show the characteristic `spoon' form of initially quickly decreasing and then slowly increasing mean values, which was also found frequently in the 127 data sets analysed earlier. The corresponding BayCoN plots are also virtually unaffected by the correction procedures. The [\chi^{2} (\zeta, \sin\theta/\lambda)] values are (b) 1208.02, (d) 1265.37 and (f) 1023.96, all of which are far larger than the threshold value of 149.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 56| Part 4| August 2023| Pages 1200-1220
https://doi.org/10.1107/S1600576723004764
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